[7-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]hydrazine

C32H33N5O4 — CID 54146623

IUPAC[7-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1ncnc2c1ccn2[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C32H33N5O4/c33-36-30-26-16-17-37(31(26)35-22-34-30)32-29(40-20-25-14-8-3-9-15-25)28(39-19-24-12-6-2-7-13-24)27(41-32)21-38-18-23-10-4-1-5-11-23/h1-17,22,27-29,32H,18-21,33H2,(H,34,35,36)/t27-,28-,29+,32-/m1/s1
InChIKeyOEVLDNPLNIYYJV-YZALVSPHSA-N
MW551.65 g/mol
LogP5.00
Rot. Bonds12

About [7-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]hydrazine

[7-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 54146623) has the molecular formula C32H33N5O4 and a molecular weight of 551.65 g/mol. Its IUPAC name is [7-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[7-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID54146623
Molecular FormulaC32H33N5O4
Molecular Weight551.65 g/mol
Exact Mass551.25
IUPAC Name[7-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1ncnc2c1ccn2[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C32H33N5O4/c33-36-30-26-16-17-37(31(26)35-22-34-30)32-29(40-20-25-14-8-3-9-15-25)28(39-19-24-12-6-2-7-13-24)27(41-32)21-38-18-23-10-4-1-5-11-23/h1-17,22,27-29,32H,18-21,33H2,(H,34,35,36)/t27-,28-,29+,32-/m1/s1
InChIKeyOEVLDNPLNIYYJV-YZALVSPHSA-N
XLogP5.00
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

9-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]purin-6-amine
CID 11570129
7-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-4-chloropyrrolo[2,3-d]pyrimidin-2-amine
CID 86586075
9-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-fluoropurin-6-amine
CID 10962708
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
1-[(2S,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 71500431
1-[(3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrrole-2-carbaldehyde
CID 87396646
(2S,3S,4S,5S)-2-(4-hydrazinylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 92534365
1-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]imidazole
CID 11261834
9-[(3S,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-chloropurine
CID 154710604
6-azido-9-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-fluoropurine
CID 54489761
(2R,5R)-2-chloro-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 154723148
(2R,4R,5S,6S,7R)-2-(6-aminopurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-one
CID 146028016

Frequently Asked Questions

What is the IUPAC name of [7-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [7-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]hydrazine (CID 54146623) is [7-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [7-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [7-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]hydrazine is NNc1ncnc2c1ccn2[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of [7-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is OEVLDNPLNIYYJV-YZALVSPHSA-N. The full InChI is InChI=1S/C32H33N5O4/c33-36-30-26-16-17-37(31(26)35-22-34-30)32-29(40-20-25-14-8-3-9-15-25)28(39-19-24-12-6-2-7-13-24)27(41-32)21-38-18-23-10-4-1-5-11-23/h1-17,22,27-29,32H,18-21,33H2,(H,34,35,36)/t27-,28-,29+,32-/m1/s1.
What are the key properties of [7-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]hydrazine?
[7-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 551.65 g/mol, XLogP of 5.00, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 54146623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).